SCHEMBL8768611

SCHEMBL8768611

O=C(O)CN(CCn1cccn1)CC(=O)O.[NaH].[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
EYA2 O00167 1/20 0.42
APP P05067 1/20 0.42
ACE P12821 1/20 0.42
LMNA P02545 4/20 0.41
BLM P54132 2/20 0.41
PMP22 Q01453 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ALOX15 P16050 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7651717 0.98 TDP1 (0.43) TDP1EYA2APPACELMNA
Hydrochloric Acid SCHEMBL8767266 0.97 TDP1 (0.42) TDP1EYA2APPACELMNA
SCHEMBL8767402 0.87 LMNA (0.38) TDP1EYA2APPACELMNA
SCHEMBL8768617 0.82 SMN1; SMN2 (0.41) LMNAKDM4EALOX15ALDH1A1KMT2A
SCHEMBL16243861 0.80 TDP1 (0.42) TDP1EYA2APPACELMNA
SCHEMBL348081 0.80 ALDH1A1 (0.43) LMNATSHRKDM4EALDH1A1KMT2A
SCHEMBL8767398 0.80 LMNA (0.41) LMNAKDM4EALDH1A1KMT2ANPC1
SCHEMBL7647805 0.76 LMNA (0.41) LMNATSHRKDM4EALDH1A1KMT2A
SCHEMBL13308206 0.75 KMT2A (0.38) LMNABLMTSHRALDH1A1KMT2A
SCHEMBL4663218 0.74 EGLN3 (0.50) LMNATSHRKMT2AHTTFDPS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790241-A1 COMPLEXONES WITH THE STRUCTURE OF N-2-(AZOL-1(2)-YL)ETHYLIMINODIACETIC ACIDS, SYNTHESIS, ANALYTICAL STUDY AND BIOLOGICAL APPLICATIONS UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA (ES) 1997-08-20 EP disclosed